[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H16FNO3S2 MolecularWeight: 425.495743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCCCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FNO3S2/c23-15-9-7-14(8-10-15)17(25)5-3-13-27-22(26)20-12-11-19(28-20)21-24-16-4-1-2-6-18(16)29-21/h1-2,4,6-12H,3,5,13H2